Cas no 70484-29-6 (2,4-Pentadienal, 5-(3,4-dimethoxyphenyl)-)
70484-29-6 structure
Product Name:2,4-Pentadienal, 5-(3,4-dimethoxyphenyl)-
CAS No:70484-29-6
MF:C13H14O3
MW:218.248464107513
CID:547170
PubChem ID:53783174
Update Time:2025-04-19
2,4-Pentadienal, 5-(3,4-dimethoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Pentadienal, 5-(3,4-dimethoxyphenyl)-
- 5-(3,4-dimethoxyphenyl)penta-2,4-dienal
- DTXSID70706643
- 70484-29-6
-
- Inchi： 1S/C13H14O3/c1-15-12-8-7-11(10-13(12)16-2)6-4-3-5-9-14/h3-10H,1-2H3
- InChI Key： DWRJGLPEOLVRQC-UHFFFAOYSA-N
- SMILES： O(C)C1C=C(C=CC=CC=O)C=CC=1OC
Computed Properties
- Exact Mass: 218.09432
- Monoisotopic Mass: 218.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 258
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- XLogP3: 2
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
2,4-Pentadienal, 5-(3,4-dimethoxyphenyl)- Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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